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191.
In vitro drug metabolism study is an integral part of drug discovery process. In this report, we have described the application of LTQ-Orbitrap hybrid mass spectrometer in conjunction with online hydrogen (H)/deuterium (D) exchange high resolution (HR)-LC/MS for structural characterization of in vitro rat liver microsomal metabolites of antihistamine desloratadine. Five metabolites M1--M5 have been identified, including three hydroxylated metabolites M1--M3, one N-oxide M4 and one uncommon aromatized N-oxide M5. Accurate mass data have been obtained in both full scan and MSn mode support assignments of metabolite structures with reported mass errors less than 3 ppm. Online H/D exchange HR-LC/MS experiments provide additional evidence in differentiating hydroxylated metabolites from N-oxides. This study demonstrates the effectiveness of this approach in structural characterization of drug metabolites. 相似文献
192.
Yu. Aksyutina H.T. Johansson T. Aumann K. Boretzky M.J.G. Borge A. Chatillon L.V. Chulkov D. Cortina-Gil U. Datta Pramanik H. Emling C. Forssén H.O.U. Fynbo H. Geissel G. Ickert B. Jonson R. Kulessa C. Langer M. Lantz T. LeBleis A.O. Lindahl K. Mahata M. Meister G. Münzenberg T. Nilsson G. Nyman R. Palit S. Paschalis W. Prokopowicz R. Reifarth A. Richter K. Riisager G. Schrieder H. Simon K. Sümmerer O. Tengblad H. Weick M.V. Zhukov 《Physics letters. [Part B]》2009
The unbound nucleus 7He, produced in neutron-knockout reactions with a 240 MeV/u 8He beam in a liquid-hydrogen target, has been studied in an experiment at the ALADIN-LAND setup at GSI. From an R-matrix analysis the resonance parameters for 7He as well as the spectroscopic factor for the 6He(0+) + n configuration in its ground-state have been obtained. The spectroscopic factor is 0.61 confirming that 7He is not a pure single-particle state. An analysis of 5He data from neutron-knockout reactions of 6He in a carbon target reveals the presence of an s -wave component at low energies in the α+n relative energy spectrum. 相似文献
193.
Tanmay K. Ghorai Susmita Pramanik Panchanan Pramanik 《Applied Surface Science》2009,255(22):9026-9031
Mn2O3/TiO2 solid solution was prepared from two different oxides, manganese oxide (from KMnO4 and ethanol) and TiO2, these samples were characterized by BET, XRD, EDAX, SEM, FT-IR, ESR, XPS and UV–vis absorption spectroscopy. Photocatalytic activities of Mn2O3/TiO2 powder was investigated by photooxidation of different dyes like Rhodamine B, thymol blue, methyl orange and Bromocresol green under visible light (300-W Xe lamp; λ > 420 nm). The results show that the alloy of TiO2 with 1 mol% of Mn2O3 (MNT1) exhibit photocatalytic activity 3–5 times higher than that of P25 TiO2 for oxidation of various dyes (RB, TB, MO and BG). The average particle size and crystallite size of MNT1 were found to be 100 nm and 12 nm measured from SEM and XRD, respectively. The EPR spectra of the Mn2O3/TiO2 samples is a sharp five-line Mn(III) component centered on geff = 1.99. 相似文献
194.
Sandhya Choubey Debajyoti Dutta Dipyaman Pramanik 《The European Physical Journal C - Particles and Fields》2018,78(4):339
The CP phases associated with the sterile neutrino cannot be measured in the dedicated short-baseline experiments being built to test the sterile neutrino hypothesis. On the other hand, these phases can be measured in long-baseline experiments, even though the main goal of these experiments is not to test or measure sterile neutrino parameters. In particular, the sterile neutrino phase \(\delta _{24}\) affects the charged-current electron appearance data in long-baseline experiment. In this paper we show how well the sterile neutrino phase \(\delta _{24}\) can be measured by the next-generation long-baseline experiments DUNE, T2HK (and T2HKK). We also show the expected precision with which this sterile phase can be measured by combining the DUNE data with data from T2HK or T2HKK. The T2HK experiment is seen to be able to measure the sterile phase \(\delta _{24}\) to a reasonable precision. We also present the sensitivity of these experiments to the sterile mixing angles, both by themselves, as well as when DUNE is combined with T2HK or T2HKK. 相似文献
195.
Sandip Kumar Samanta Syed Samim Ali Ankita Gangopadhyay Kalipada Maiti Ajoy Kumar Pramanik Uday Narayan Guria 《Supramolecular chemistry》2019,31(5):349-360
A 3-indolylacrylate derivative, 3-IA, prepared by connecting an ethyl acrylate in 3-position of indole has been synthesised and characterised. Ethyl acrylate moiety acts as the Michael acceptor towards H2S, and the resultant addition product then participates in intramolecular cyclisation with the ester group at 2-position to form another new heterocyclic ring. Blue fluorescence of 3-IA turned into green in presence of H2S, leading to ratiometric behaviour of the fluorescent sensor with large stokes shift of 55 nm. Probe 3-IA has excellent selectivity towards H2S over other biothiols and other competing anions. Density function theory/time-dependent density function theory calculations were carried out to validate the reaction mechanism and the electronic properties of 3-IA. Importantly, the ratiometric probe 3-IA shows great promise in H2S detection by simple visual fluorescent inspection in filter paper-based protocol. The probe shows its excellent ability to detect H2S in different natural water samples. Furthermore, we have employed our probe to detect H2S for ratiometric imaging in live Vero cell. 相似文献
196.
Anup Pramanik 《Journal of Molecular Spectroscopy》2007,244(1):13-23
Electronic structure and spectroscopic properties of the low-lying electronic states of the SiC radical have been determined from the ab initio based configuration interaction calculations. Potential energy curves of 32 Λ-S states of singlet, triplet, and quintet spin multiplicities have been constructed. Spectroscopic constants (re, Te, and ωe) of 23 states within 6 eV are reported and compared with the existing data. The dipole moments (μe) of most of these states at their respective equilibrium bond lengths have been computed. Effects of the spin-orbit coupling on the spectroscopic properties of SiC have been studied. The E3Π state is found to be an important one which has not been studied before. A transition of the type E3Π-X3Π is predicted to take place in the range 25 000-26 000 cm−1. The partial radiative lifetimes for several electric dipole allowed transitions such as A3Σ+-X3Π, B3Σ+-X3Π, C3Π-X3Π, D3Δ-X3Π, E3Π-X3Π etc. have been reported. 相似文献
197.
Dinuclear (V(IV)V(V)) oxophenoxovanadates of general formula [V2O3L] have been synthesized in excellent yields by reacting bis(acetylacetonato)oxovanadium(IV) with H3L in a 2:1 ratio in acetone under an N2 atmosphere. Here L3- is the deprotonated form of 2,6-bis[{{(2-hydroxybenzyl)(N',N'-(dimethylamino)ethyl)}amino}methyl]-4-methylphenol (H3L1), 2,6-bis[{{(5-methyl-2-hydroxybenzyl)(N',N'-(dimethylamino)ethyl)}amino}methyl]-4-methylphenol (H3L2), 2,6-bis[{{(5-tert-butyl-2-hydroxybenzyl)(N',N'-(dimethylamino)ethyl)}amino}methyl]-4-methylphenol (H3L3), 2,6-bis[{{(5-chloro-2-hydroxybenzyl)(N',N'-(dimethylamino)ethyl)}amino}methyl]-4-methylphenol(H3L4), 2,6-bis[{{(5-bromo-2-hydroxybenzyl)(N'N'-(dimethylamino)ethyl)}amino}methyl]-4-methylphenol (H3L5), or 2,6-bis[{{(5-methoxy-2-hydroxybenzyl)(N'N'-(dimethylamino)ethyl)}methyl]-4-methylphenol (H3L6). In [V2O3L1], both the metal atoms have distorted octahedral geometry. The relative disposition of two terminal V=O groups in the complex is essentially cis. The O=V...V=O torsion angle is 24.6(2) degrees . The V-O(oxo)-V and V-O(phenoxo)-V angles are 117.5(4) and 93.4(3) degrees , respectively. The V...V bond distance is 3.173(5) A. X-ray crystallography, IR, UV-vis, and 1H and 51V NMR measurements show that the mixed-valence complexes contain two indistinguishable vanadium atoms (type III). The thermal ellipsoids of O2, O4, C10, C14, and C15 also suggests a type III complex in the solid state. EPR spectra of solid complexes at 77 K display a single line indicating the localization of the odd electron (3d(xy)1). Valence localization at 77 K is also consistent with the 51V hyperfine structure of the axial EPR spectra (3d(xy)1 ground state) of the complexes in frozen (77 K) dichloromethane solution: S = 1/2, g(parallel) approximately 1.94, g(perpendicular) approximately 1.98, A(parallel) approximately 166 x 10(-4) cm(-1), and A(perpendicular) approximately 68 x 10(-4) cm(-1). In contrast isotropic room-temperature solution spectra of the family have 15 hyperfine lines (g(iso) approximately 1.974 and A(iso) approximately 50 x 10(-4) cm(-1)) revealing that the unpaired electron is delocalized between the metal centers. Crystal data for the [V2O3L1].CH2Cl2 complex are as follows: chemical formula, C32H43O6N4Cl2V2; crystal system, monoclinic; space group, C2/c; a = 18.461(4), b = 17.230(3), c = 13.700(3) A; beta = 117.88(3) degrees ; Z = 8. 相似文献
198.
We report experimental observations of transverse shear waves in a three-dimensional dusty plasma that is in the strongly coupled fluid regime. These spontaneous oscillations occur when the ambient neutral pressure is reduced below a threshold value and the measured dispersion characteristics of these waves are found to be in good agreement with predictions of a viscoelastic theory of dusty plasmas. 相似文献
199.
M. Pramanik S. K. Srivastava B. K. Samantaray A. K. Bhowmick 《Journal of Polymer Science.Polymer Physics》2002,40(18):2065-2072
We synthesized organosoluble, thermoplastic elastomer/clay nanocomposites by making a jelly like solution of ethylene vinyl acetate containing 28% vinyl acetate (EVA‐28) and blending it with organomodified montmorillonite. Sodium montmorillonite (Na+‐MMT) was made organophilic by the intercalation of dodecyl ammonium ions. X‐ray diffraction patterns of Na+‐MMT and its corresponding organomodified dodecyl ammonium ion intercalated montmorillonite (12Me‐MMT) showed an increase in the interlayer spacing from 11.94 to 15.78 Å. However, X‐ray diffraction patterns of the thermoplastic elastomer and its hybrids with organomodified clay contents up to 6 wt % exhibited the disappearance of basal reflection peaks within an angle range of 3–10°, supporting the formation of a delaminated configuration. A hybrid containing 8 wt % 12Me‐MMT revealed a small hump within an angle range of 5–6° because of the aggregation of silicate layers in the EVA‐28 matrix. A transmission electron microscopy image of the same hybrid showed 3–5‐nm 12Me‐MMT particles dispersed in the thermoplastic elastomer matrix; that is, it led to the formation of nanocomposites or molecular‐level composites with a delaminated configuration. The formation of nanocomposites was reflected through the unexpected improvement of thermal and mechanical properties; for example, the tensile strength of a nanocomposite containing only 4 wt % organophilic clay was doubled in comparison with that of pure EVA‐28, and the thermal stability of the same nanocomposite was higher by about 34 °C. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 40: 2065–2072, 2002 相似文献
200.
We investigated the temperature dependence of the splay elastic constant (K11) and rotational viscosity (γ1) of a binary liquid crystal system comprising 5-trans-n-butyl-2-(4-isothiocyanatophenyl)-1,3-dioxane (4DBT) and 4-cyano-4′-n-undecyloxy-biphenyl (11OCB), exhibiting induced nematic phase. Both the splay elastic constant and rotational viscosity increased following lowering of the temperature. In the vicinity of smectic A-nematic (SmA-N) transition, both the relaxation time and rotational viscosity exhibited a strong pretransitional behaviour. The critical exponent (ν) presented here led to valuable qualitative information about the pre-transitional behaviour of the rotational viscosity data near the SmA-N phase transition. The extracted ν values ranging between 0.336 and 0.352 are in fair agreement with those predicted in the de Gennes model as compared to that by the mean-field model. 相似文献